N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide

C35H32N4O4 — CID 176857965

IUPACN-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide
SMILESCCCOCc1ccccc1C(=O)Nc1ccc(-c2cc(NC(=O)c3cccc(C(=O)c4ccccc4)c3)n(C)n2)cc1
InChIInChI=1S/C35H32N4O4/c1-3-20-43-23-28-12-7-8-15-30(28)35(42)36-29-18-16-24(17-19-29)31-22-32(39(2)38-31)37-34(41)27-14-9-13-26(21-27)33(40)25-10-5-4-6-11-25/h4-19,21-22H,3,20,23H2,1-2H3,(H,36,42)(H,37,41)
InChIKeyAROGYNIGSYBTSA-UHFFFAOYSA-N
MW572.67 g/mol
LogP6.75
Rot. Bonds11

About N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide

N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide (PubChem CID 176857965) has the molecular formula C35H32N4O4 and a molecular weight of 572.67 g/mol. Its IUPAC name is N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide.

Molecular Properties

Compound NameN-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide
PubChem CID176857965
Molecular FormulaC35H32N4O4
Molecular Weight572.67 g/mol
Exact Mass572.24
IUPAC NameN-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide
SMILESCCCOCc1ccccc1C(=O)Nc1ccc(-c2cc(NC(=O)c3cccc(C(=O)c4ccccc4)c3)n(C)n2)cc1
InChIInChI=1S/C35H32N4O4/c1-3-20-43-23-28-12-7-8-15-30(28)35(42)36-29-18-16-24(17-19-29)31-22-32(39(2)38-31)37-34(41)27-14-9-13-26(21-27)33(40)25-10-5-4-6-11-25/h4-19,21-22H,3,20,23H2,1-2H3,(H,36,42)(H,37,41)
InChIKeyAROGYNIGSYBTSA-UHFFFAOYSA-N
XLogP6.75
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.67
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]carbamoyl]benzoate
CID 170346238
2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
CID 176857987
2-[2-[4-[[2-[[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]carbamoyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethylcarbamic acid
CID 170346170
tert-butyl N-[2-[[2-[[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamoyl]phenyl]methoxy]ethyl]carbamate
CID 170596530
N-[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170346252
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide
CID 176857902
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-4-(4-prop-2-ynoxybenzoyl)benzamide
CID 170346312
[2-[[4-[5-[(3-ethynylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamoyl]phenyl]imino-iminoazanium
CID 176857977
[3-[[1-methyl-3-[4-[(2-prop-2-ynoxybenzoyl)amino]phenyl]pyrazol-5-yl]carbamoyl]phenyl]iminoazanide
CID 176857983
3-[2-[[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]carbamoyl]phenyl]prop-2-ynyl-tert-butylcarbamic acid
CID 170346165
methyl 3-[[3-[4-[(3-chloro-2-methylidenebut-3-enoyl)amino]phenyl]-1-methylpyrazol-5-yl]carbamoyl]benzoate
CID 170413534
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide?
The IUPAC name of N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide (CID 176857965) is N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide.
What is the SMILES notation for N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide?
The canonical SMILES for N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide is CCCOCc1ccccc1C(=O)Nc1ccc(-c2cc(NC(=O)c3cccc(C(=O)c4ccccc4)c3)n(C)n2)cc1.
What is the InChIKey of N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide?
The InChIKey is AROGYNIGSYBTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O4/c1-3-20-43-23-28-12-7-8-15-30(28)35(42)36-29-18-16-24(17-19-29)31-22-32(39(2)38-31)37-34(41)27-14-9-13-26(21-27)33(40)25-10-5-4-6-11-25/h4-19,21-22H,3,20,23H2,1-2H3,(H,36,42)(H,37,41).
What are the key properties of N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide?
N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide has a molecular weight of 572.67 g/mol, XLogP of 6.75, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide is sourced from PubChem (CID 176857965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).